6AGG
Crystal structure of agmatine-AMPPCP-Mg complexed TiaS (tRNAIle2 agmatidine synthetase)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2010-11-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 69.786, 69.786, 210.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.095 - 2.706 |
R-factor | 0.215 |
Rwork | 0.211 |
R-free | 0.29780 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.123 | 0.559 |
Number of reflections | 14875 | 1461 |
<I/σ(I)> | 24.6 | 11 |
Completeness [%] | 99.3 | 100 |
Redundancy | 27.3 | 28.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 50mM HEPES-Na pH7.0-7.2, 0.5M NH4Ac, 0.2M MgCl2, 1.5-2.5% PEG 8000 |